NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
624116 |
6f3x   |
34208 | cing | 2-parsed | STAR | entry | full | 11 |
data_6f3x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6f3x
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_6f3x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6f3x
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 6f3x "Master copy" parsed_6f3x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6f3x
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 6f3x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6f3x 1
1 6f3x.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 11 parsed_6f3x 1
1 6f3x.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6f3x 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_6f3x
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER MEMBRANE PROTEIN 29-NOV-17 6F3X
*TITLE BACKBONE STRUCTURE OF DES-ARG10-KALLIDIN (DAKD) PEPTIDE IN FROZEN
*TITLE 2 DDM/CHS DETERGENT MICELLE SOLUTION DETERMINED BY DNP-ENHANCED MAS
*TITLE 3 SSNMR
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: KININOGEN-1;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: ALPHA-2-THIOL PROTEINASE INHIBITOR,FITZGERALD FACTOR,HIGH
*COMPND 5 MOLECULAR WEIGHT KININOGEN,HMWK,WILLIAMS-FITZGERALD-FLAUJEAC FACTOR;
*COMPND 6 ENGINEERED: YES;
*COMPND 7 OTHER_DETAILS: DAKD PEPTIDE
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 4 ORGANISM_COMMON: HUMAN;
*SOURCE 5 ORGANISM_TAXID: 9606;
*SOURCE 6 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMANS
*KEYWDS GPCR, DNP, MEMBRANE PROTEIN
*EXPDTA SOLID-STATE NMR
*NUMMDL 10
*AUTHOR J.MAO,G.KUENZE,L.JOEDICKE,J.MEILER,H.MICHEL,C.GLAUBITZ
*REVDAT 1 10-JAN-18 6F3X 0
;
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6f3x
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.33 -60.354 . . 2 ARG . . . . . . . . . . . . . parsed_6f3x 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.482 149.738 . . 2 ARG . . . . . . . . . . . . . parsed_6f3x 1
3 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.856 157.132 . . 3 PRO . . . . . . . . . . . . . parsed_6f3x 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.184 156.67 . . 4 PRO . . . . . . . . . . . . . parsed_6f3x 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.812 97.998 . . 5 GLY . . . . . . . . . . . . . parsed_6f3x 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.851 19.827 . . 5 GLY . . . . . . . . . . . . . parsed_6f3x 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.253 -65.111 . . 6 PHE . . . . . . . . . . . . . parsed_6f3x 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.946 152.158 . . 6 PHE . . . . . . . . . . . . . parsed_6f3x 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.944 -58.564 . . 7 SER . . . . . . . . . . . . . parsed_6f3x 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.001 159.567 . . 7 SER . . . . . . . . . . . . . parsed_6f3x 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.47 151.726 . . 8 PRO . . . . . . . . . . . . . parsed_6f3x 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "Restraints file 1: DAKD_free.aco" 1 1 1 34 parsed_6f3x 1
2 "Talos contraints =10 only" 2 1 2 26 parsed_6f3x 1
stop_
save_
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